Package org.openscience.cdk.hash
Interface EnsembleHashGenerator
public interface EnsembleHashGenerator
A hash function which generates a single 64-bit hash code for a set of
molecules (ensemble).
- Author:
- John May
- Source code:
- main
- Belongs to CDK module:
- interfaces
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Method Summary
Modifier and TypeMethodDescriptionlong
generate
(Set<IAtomContainer> ensemble) Generate invariant 64-bit hash code for an ensemble of molecules.
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Method Details
-
generate
Generate invariant 64-bit hash code for an ensemble of molecules.- Parameters:
ensemble
- an ensemble molecule- Returns:
- hash code for the ensemble
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